5-(5,5,5-trifluoro-3-hydroxypentyl)pyrrolidin-2-one

C9H14F3NO2 — CID 174467636

IUPAC5-(5,5,5-trifluoro-3-hydroxypentyl)pyrrolidin-2-one
SMILESO=C1CCC(CCC(O)CC(F)(F)F)N1
InChIInChI=1S/C9H14F3NO2/c10-9(11,12)5-7(14)3-1-6-2-4-8(15)13-6/h6-7,14H,1-5H2,(H,13,15)
InChIKeyXYHKMMIBEGMRSX-UHFFFAOYSA-N
MW225.21 g/mol
LogP1.36
Rot. Bonds4

About 5-(5,5,5-trifluoro-3-hydroxypentyl)pyrrolidin-2-one

5-(5,5,5-trifluoro-3-hydroxypentyl)pyrrolidin-2-one (PubChem CID 174467636) has the molecular formula C9H14F3NO2 and a molecular weight of 225.21 g/mol. Its IUPAC name is 5-(5,5,5-trifluoro-3-hydroxypentyl)pyrrolidin-2-one.

Molecular Properties

Compound Name5-(5,5,5-trifluoro-3-hydroxypentyl)pyrrolidin-2-one
PubChem CID174467636
Molecular FormulaC9H14F3NO2
Molecular Weight225.21 g/mol
Exact Mass225.10
IUPAC Name5-(5,5,5-trifluoro-3-hydroxypentyl)pyrrolidin-2-one
SMILESO=C1CCC(CCC(O)CC(F)(F)F)N1
InChIInChI=1S/C9H14F3NO2/c10-9(11,12)5-7(14)3-1-6-2-4-8(15)13-6/h6-7,14H,1-5H2,(H,13,15)
InChIKeyXYHKMMIBEGMRSX-UHFFFAOYSA-N
XLogP1.36
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.21
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 5-(5,5,5-trifluoro-3-hydroxypentyl)pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[(3-hydroxypentylamino)methyl]pyrrolidin-2-one
CID 107530049
5-(3,3-dimethylbutyl)pyrrolidin-2-one
CID 163551837
5-(2-aminoethyl)pyrrolidin-2-one;dihydrochloride
CID 171329412
5-(2,2-difluoroethyl)pyrrolidin-2-one
CID 67255419
(5S)-5-(3-oxobutyl)pyrrolidin-2-one
CID 174305223
1-[(5-oxopyrrolidin-2-yl)methyl]-3-(2,2,2-trifluoroethyl)urea
CID 115629356
5-but-3-ynylpyrrolidin-2-one
CID 15531515
(5R)-5-(sulfanylmethyl)pyrrolidin-2-one
CID 59949416
5-[2-[tert-butyl(dimethyl)-λ4-sulfanyl]ethyl]pyrrolidin-2-one
CID 138547815
(6R)-6-[(2S)-2,4-dihydroxybutyl]piperidin-2-one
CID 102319350
4-[(2R)-5-oxopyrrolidin-2-yl]butanal
CID 11423711
3,3,3-trifluoro-2-[[(5-oxopyrrolidin-2-yl)methylamino]methyl]propanenitrile
CID 103367314

Frequently Asked Questions

What is the IUPAC name of 5-(5,5,5-trifluoro-3-hydroxypentyl)pyrrolidin-2-one?
The IUPAC name of 5-(5,5,5-trifluoro-3-hydroxypentyl)pyrrolidin-2-one (CID 174467636) is 5-(5,5,5-trifluoro-3-hydroxypentyl)pyrrolidin-2-one.
What is the SMILES notation for 5-(5,5,5-trifluoro-3-hydroxypentyl)pyrrolidin-2-one?
The canonical SMILES for 5-(5,5,5-trifluoro-3-hydroxypentyl)pyrrolidin-2-one is O=C1CCC(CCC(O)CC(F)(F)F)N1.
What is the InChIKey of 5-(5,5,5-trifluoro-3-hydroxypentyl)pyrrolidin-2-one?
The InChIKey is XYHKMMIBEGMRSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO2/c10-9(11,12)5-7(14)3-1-6-2-4-8(15)13-6/h6-7,14H,1-5H2,(H,13,15).
What are the key properties of 5-(5,5,5-trifluoro-3-hydroxypentyl)pyrrolidin-2-one?
5-(5,5,5-trifluoro-3-hydroxypentyl)pyrrolidin-2-one has a molecular weight of 225.21 g/mol, XLogP of 1.36, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5,5,5-trifluoro-3-hydroxypentyl)pyrrolidin-2-one is sourced from PubChem (CID 174467636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).